Chemical Properties of Phthalic acid, butyl 2-bromo-5-fluorobenzyl ester

InChI

InChI=1S/C19H18BrFO4/c1-2-3-10-24-18(22)15-6-4-5-7-16(15)19(23)25-12-13-11-14(21)8-9-17(13)20/h4-9,11H,2-3,10,12H2,1H3

InChI Key

YYDJBXMDOBWKQS-UHFFFAOYSA-N

Formula

C19H18BrFO4

SMILES

CCCCOC(=O)c1ccccc1C(=O)OCc1cc(F)ccc1Br

Molecular Weight¹

409.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-343.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-656.22	kJ/mol	Joback Calculated Property
ΔfusH°	45.82	kJ/mol	Joback Calculated Property
ΔvapH°	88.36	kJ/mol	Joback Calculated Property
log10WS	-6.82		Crippen Calculated Property
logPoct/wat	4.902		Crippen Calculated Property
McVol	265.200	ml/mol	McGowan Calculated Property
Pc	1875.65	kPa	Joback Calculated Property
Inp	[2996.00; 2996.00]
Inp	2996.00		NIST
Inp	2996.00		NIST
Tboil	920.43	K	Joback Calculated Property
Tc	1150.63	K	Joback Calculated Property
Tfus	599.00	K	Joback Calculated Property
Vc	1.012	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[762.09; 813.85]	J/mol×K	[920.43; 1150.63]
Cp,gas	762.09	J/mol×K	920.43	Joback Calculated Property
Cp,gas	773.56	J/mol×K	958.80	Joback Calculated Property
Cp,gas	783.85	J/mol×K	997.16	Joback Calculated Property
Cp,gas	792.99	J/mol×K	1035.53	Joback Calculated Property
Cp,gas	801.01	J/mol×K	1073.90	Joback Calculated Property
Cp,gas	807.96	J/mol×K	1112.27	Joback Calculated Property
Cp,gas	813.85	J/mol×K	1150.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, butyl 2-bromo-5-fluorobenzyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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